R4N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C12 | doub | 1.40Å | 1.38Å | Aromatic |
| C5 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C7 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C9 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C12 | sing | 1.40Å | 1.38Å | Aromatic |
| C10 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C20 | sing | 1.48Å | 1.47Å | |
| C13 | C24 | sing | 1.51Å | 1.49Å | |
| C14 | C17 | sing | 1.40Å | 1.38Å | Aromatic |
| C14 | N26 | sing | 1.39Å | 1.42Å | |
| C15 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | O30 | sing | 1.36Å | 1.39Å | |
| C16 | O31 | sing | 1.36Å | 1.39Å | |
| C17 | S32 | sing | 1.76Å | 1.78Å | |
| C18 | CL33 | sing | 1.74Å | 1.72Å | |
| C19 | C21 | sing | 1.50Å | 1.50Å | |
| C19 | N26 | sing | 1.33Å | 1.41Å | |
| C19 | O28 | doub | 1.21Å | 1.22Å | |
| C20 | N27 | sing | 1.35Å | 1.37Å | |
| C20 | O29 | doub | 1.22Å | 1.22Å | |
| C21 | S32 | sing | 1.82Å | 1.81Å | |
| C22 | C23 | sing | 1.54Å | 1.51Å | |
| C22 | O30 | sing | 1.43Å | 1.42Å | |
| C23 | C25 | sing | 1.53Å | 1.50Å | |
| C23 | O31 | sing | 1.43Å | 1.43Å | |
| C24 | N26 | sing | 1.46Å | 1.45Å | |
| C25 | N27 | sing | 1.47Å | 1.44Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| N27 | H27 | sing | 0.97Å | 1.00Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.5° | 120.1° |
| C1 | C2 | C7 | 120.8° | 120.1° |
| C2 | C1 | H1 | 119.7° | 120.0° |
| C1 | C2 | H2 | 119.6° | 120.0° |
| C1 | C6 | C15 | 118.9° | 120.1° |
| C6 | C1 | H1 | 119.8° | 119.9° |
| C1 | C6 | H6 | 120.5° | 120.0° |
| C2 | C7 | C16 | 118.7° | 120.1° |
| C7 | C2 | H2 | 119.6° | 119.9° |
| C2 | C7 | H7 | 120.7° | 120.0° |
| C5 | C3 | C9 | 118.9° | 120.0° |
| C3 | C5 | C13 | 121.0° | 120.0° |
| C5 | C3 | H3 | 120.5° | 119.9° |
| C3 | C5 | H5 | 119.5° | 120.0° |
| C3 | C9 | C18 | 120.1° | 120.0° |
| C9 | C3 | H3 | 120.5° | 120.0° |
| C3 | C9 | H9 | 120.0° | 120.0° |
| C8 | C4 | C12 | 119.2° | 119.8° |
| C4 | C8 | C17 | 121.3° | 120.2° |
| C8 | C4 | H4 | 120.4° | 120.1° |
| C4 | C8 | H8 | 119.4° | 119.9° |
| C4 | C12 | C10 | 120.3° | 120.1° |
| C4 | C12 | C20 | 120.5° | 119.9° |
| C12 | C4 | H4 | 120.4° | 120.1° |
| C5 | C13 | C11 | 120.1° | 120.0° |
| C5 | C13 | C24 | 120.4° | 120.0° |
| C13 | C5 | H5 | 119.5° | 120.0° |
| C6 | C15 | C16 | 120.4° | 119.8° |
| C6 | C15 | O30 | 119.4° | 119.4° |
| C15 | C6 | H6 | 120.6° | 119.9° |
| C7 | C16 | C15 | 120.7° | 119.8° |
| C7 | C16 | O31 | 117.3° | 119.4° |
| C16 | C7 | H7 | 120.7° | 120.0° |
| C8 | C17 | C14 | 119.2° | 120.6° |
| C8 | C17 | S32 | 119.9° | 120.1° |
| C17 | C8 | H8 | 119.4° | 119.9° |
| C9 | C18 | C11 | 121.2° | 120.0° |
| C9 | C18 | CL33 | 117.8° | 120.0° |
| C18 | C9 | H9 | 120.0° | 120.0° |
| C12 | C10 | C14 | 120.2° | 120.2° |
| C10 | C12 | C20 | 119.2° | 120.0° |
| C12 | C10 | H10 | 119.9° | 119.9° |
| C10 | C14 | C17 | 119.8° | 119.2° |
| C10 | C14 | N26 | 120.2° | 119.3° |
| C14 | C10 | H10 | 119.9° | 120.0° |
| C13 | C11 | C18 | 118.6° | 120.0° |
| C11 | C13 | C24 | 119.5° | 120.0° |
| C13 | C11 | H11 | 120.7° | 120.0° |
| C11 | C18 | CL33 | 121.0° | 120.0° |
| C18 | C11 | H11 | 120.7° | 120.0° |
| C12 | C20 | N27 | 115.0° | 120.0° |
| C12 | C20 | O29 | 118.6° | 120.0° |
| C13 | C24 | N26 | 112.5° | 109.5° |
| C13 | C24 | H241 | 108.7° | 109.5° |
| C13 | C24 | H242 | 108.7° | 109.5° |
| C17 | C14 | N26 | 119.9° | 121.5° |
| C14 | C17 | S32 | 120.8° | 119.3° |
| C14 | N26 | C19 | 125.0° | 125.8° |
| C14 | N26 | C24 | 114.6° | 117.1° |
| C16 | C15 | O30 | 120.2° | 120.8° |
| C15 | C16 | O31 | 121.9° | 120.8° |
| C15 | O30 | C22 | 104.2° | 116.7° |
| C16 | O31 | C23 | 112.7° | 116.7° |
| C17 | S32 | C21 | 98.6° | 101.8° |
| C21 | C19 | N26 | 118.5° | 123.5° |
| C21 | C19 | O28 | 116.4° | 118.3° |
| C19 | C21 | S32 | 113.0° | 109.0° |
| C19 | C21 | H211 | 108.6° | 109.6° |
| C19 | C21 | H212 | 108.6° | 109.5° |
| N26 | C19 | O28 | 125.1° | 118.2° |
| C19 | N26 | C24 | 120.4° | 117.1° |
| N27 | C20 | O29 | 126.3° | 120.0° |
| C20 | N27 | C25 | 122.0° | 120.0° |
| C20 | N27 | H27 | 119.0° | 120.0° |
| S32 | C21 | H211 | 108.6° | 109.5° |
| S32 | C21 | H212 | 108.6° | 109.5° |
| C23 | C22 | O30 | 107.5° | 108.2° |
| C22 | C23 | C25 | 112.3° | 109.7° |
| C22 | C23 | O31 | 115.6° | 108.2° |
| C23 | C22 | H221 | 109.9° | 109.7° |
| C23 | C22 | H222 | 110.0° | 109.7° |
| C22 | C23 | H23 | 105.9° | 109.7° |
| O30 | C22 | H221 | 110.0° | 109.6° |
| O30 | C22 | H222 | 109.9° | 109.8° |
| C25 | C23 | O31 | 109.6° | 109.7° |
| C23 | C25 | N27 | 113.1° | 109.5° |
| C25 | C23 | H23 | 106.0° | 109.7° |
| C23 | C25 | H251 | 108.5° | 109.5° |
| C23 | C25 | H252 | 108.6° | 109.5° |
| O31 | C23 | H23 | 106.8° | 109.8° |
| N26 | C24 | H241 | 108.7° | 109.4° |
| N26 | C24 | H242 | 108.7° | 109.4° |
| C25 | N27 | H27 | 119.0° | 120.0° |
| N27 | C25 | H251 | 108.6° | 109.5° |
| N27 | C25 | H252 | 108.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.7° |
| H221 | C22 | H222 | 109.5° | 109.7° |
| H251 | C25 | H252 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.6° |
| C1 | C2 | C7 | H2 | 180.0° | 180.0° |
| C2 | C1 | C6 | C15 | 0.1° | 0.1° |
| C1 | C2 | C7 | C16 | 0.3° | 0.0° |
| C2 | C1 | C6 | H6 | 180.0° | 180.0° |
| C1 | C2 | C7 | H7 | 179.8° | 179.9° |
| C6 | C1 | C2 | C7 | 0.1° | 0.0° |
| C1 | C6 | C15 | H6 | 180.0° | 180.0° |
| C1 | C6 | C15 | C16 | 0.0° | 0.1° |
| C1 | C6 | C15 | O30 | 179.7° | 179.7° |
| C6 | C1 | C2 | H2 | 180.0° | 180.0° |
| C2 | C7 | C16 | H7 | 180.0° | 179.9° |
| C2 | C7 | C16 | C15 | 0.3° | 0.1° |
| C2 | C7 | C16 | O31 | 179.6° | 179.7° |
| C7 | C2 | C1 | H1 | 179.9° | 179.6° |
| C5 | C3 | C9 | H3 | 180.0° | 179.7° |
| C3 | C5 | C13 | H5 | 180.0° | 180.0° |
| C5 | C3 | C9 | C18 | 0.4° | 0.0° |
| C3 | C5 | C13 | C11 | 0.3° | NaN° |
| C3 | C5 | C13 | C24 | 179.3° | 180.0° |
| C5 | C3 | C9 | H9 | 179.6° | 180.0° |
| C9 | C3 | C5 | C13 | 0.5° | 0.0° |
| C3 | C9 | C18 | H9 | 180.0° | 180.0° |
| C3 | C9 | C18 | C11 | 0.1° | 0.0° |
| C3 | C9 | C18 | CL33 | 179.5° | 180.0° |
| C9 | C3 | C5 | H5 | 179.5° | 180.0° |
| C8 | C4 | C12 | H4 | 180.0° | 179.7° |
| C4 | C8 | C17 | H8 | 180.0° | 180.0° |
| C8 | C4 | C12 | C10 | 0.9° | 0.1° |
| C8 | C4 | C12 | C20 | 179.4° | 179.9° |
| C4 | C8 | C17 | C14 | 1.1° | 0.2° |
| C4 | C8 | C17 | S32 | 178.3° | 179.7° |
| C12 | C4 | C8 | C17 | 1.3° | 0.0° |
| C4 | C12 | C10 | C20 | 178.5° | 180.0° |
| C4 | C12 | C10 | C14 | 0.2° | 0.0° |
| C4 | C12 | C20 | N27 | 26.0° | 0.0° |
| C4 | C12 | C20 | O29 | 150.3° | 180.0° |
| C12 | C4 | C8 | H8 | 178.7° | 180.0° |
| C4 | C12 | C10 | H10 | 179.8° | 179.9° |
| C5 | C13 | C11 | C24 | 179.5° | 180.0° |
| C5 | C13 | C11 | C18 | 0.0° | 0.0° |
| C5 | C13 | C24 | N26 | 26.1° | 90.0° |
| C13 | C5 | C3 | H3 | 179.5° | 179.7° |
| C5 | C13 | C11 | H11 | 180.0° | 180.0° |
| C5 | C13 | C24 | H241 | 146.5° | 150.0° |
| C5 | C13 | C24 | H242 | 94.4° | 30.0° |
| C6 | C15 | C16 | C7 | 0.2° | 0.1° |
| C6 | C15 | C16 | O30 | 179.8° | 179.8° |
| C6 | C15 | C16 | O31 | 179.7° | 179.7° |
| C6 | C15 | O30 | C22 | 135.1° | 162.8° |
| C15 | C6 | C1 | H1 | 179.9° | 179.7° |
| C7 | C16 | C15 | O31 | 179.9° | 179.8° |
| C7 | C16 | C15 | O30 | 179.9° | 179.6° |
| C7 | C16 | O31 | C23 | 161.1° | 162.8° |
| C16 | C7 | C2 | H2 | 179.8° | 180.0° |
| C8 | C17 | C14 | C10 | 0.5° | 0.3° |
| C8 | C17 | C14 | S32 | 179.4° | 179.9° |
| C8 | C17 | C14 | N26 | 178.5° | 179.5° |
| C8 | C17 | S32 | C21 | 146.1° | 149.4° |
| C17 | C8 | C4 | H4 | 178.7° | 179.7° |
| C9 | C18 | C11 | C13 | 0.1° | 0.0° |
| C9 | C18 | C11 | CL33 | 179.6° | 179.9° |
| C18 | C9 | C3 | H3 | 179.6° | 179.8° |
| C9 | C18 | C11 | H11 | 179.9° | 180.0° |
| C12 | C10 | C14 | H10 | 180.0° | 180.0° |
| C12 | C10 | C14 | C17 | 0.0° | 0.2° |
| C12 | C10 | C14 | N26 | 178.1° | 179.7° |
| C10 | C12 | C20 | N27 | 155.5° | 180.0° |
| C10 | C12 | C20 | O29 | 28.2° | 0.0° |
| C10 | C12 | C4 | H4 | 179.1° | 179.8° |
| C14 | C10 | C12 | C20 | 178.7° | 180.0° |
| C10 | C14 | C17 | N26 | 178.1° | 179.8° |
| C10 | C14 | C17 | S32 | 179.0° | 179.6° |
| C10 | C14 | N26 | C19 | 151.1° | 157.8° |
| C10 | C14 | N26 | C24 | 30.4° | 22.3° |
| C13 | C11 | C18 | H11 | 180.0° | 180.0° |
| C13 | C11 | C18 | CL33 | 179.7° | 179.9° |
| C11 | C13 | C24 | N26 | 153.5° | 90.0° |
| C11 | C13 | C5 | H5 | 179.7° | 180.0° |
| C11 | C13 | C24 | H241 | 33.0° | 30.0° |
| C11 | C13 | C24 | H242 | 86.1° | 150.0° |
| C18 | C11 | C13 | C24 | 179.6° | 180.0° |
| C11 | C18 | C9 | H9 | 179.9° | 180.0° |
| C12 | C20 | N27 | O29 | 175.9° | 180.0° |
| C12 | C20 | N27 | C25 | 162.7° | 180.0° |
| C20 | C12 | C4 | H4 | 0.6° | 0.3° |
| C20 | C12 | C10 | H10 | 1.3° | 0.0° |
| C12 | C20 | N27 | H27 | 17.3° | 0.0° |
| C13 | C24 | N26 | C14 | 108.4° | 84.3° |
| C13 | C24 | N26 | C19 | 73.1° | 95.6° |
| C13 | C24 | N26 | H241 | 120.5° | 120.0° |
| C13 | C24 | N26 | H242 | 120.4° | 120.1° |
| C24 | C13 | C5 | H5 | 0.8° | 0.0° |
| C24 | C13 | C11 | H11 | 0.4° | 0.0° |
| C13 | C24 | H241 | H242 | 118.6° | 120.1° |
| C17 | C14 | N26 | C19 | 30.9° | 22.4° |
| C14 | C17 | S32 | C21 | 34.5° | 30.6° |
| C17 | C14 | N26 | C24 | 147.6° | 157.5° |
| C14 | C17 | C8 | H8 | 178.9° | 179.8° |
| C17 | C14 | C10 | H10 | 180.0° | 179.9° |
| N26 | C14 | C17 | S32 | 0.9° | 0.6° |
| C14 | N26 | C19 | C21 | 11.2° | 0.8° |
| C14 | N26 | C19 | C24 | 178.4° | 179.9° |
| C14 | N26 | C19 | O28 | 167.0° | 179.1° |
| N26 | C14 | C10 | H10 | 1.9° | 0.3° |
| C14 | N26 | C24 | H241 | 131.1° | 35.7° |
| C14 | N26 | C24 | H242 | 12.0° | 155.6° |
| C16 | C15 | O30 | C22 | 44.7° | 17.4° |
| C15 | C16 | O31 | C23 | 18.8° | 17.4° |
| C16 | C15 | C6 | H6 | 180.0° | 179.9° |
| C15 | C16 | C7 | H7 | 179.7° | 179.8° |
| O30 | C15 | C16 | O31 | 0.0° | 0.5° |
| C15 | O30 | C22 | C23 | 67.6° | 46.3° |
| O30 | C15 | C6 | H6 | 0.3° | 0.3° |
| C15 | O30 | C22 | H221 | 172.7° | 166.0° |
| C15 | O30 | C22 | H222 | 52.1° | 73.4° |
| C16 | O31 | C23 | C22 | 8.0° | 46.3° |
| C16 | O31 | C23 | C25 | 136.2° | 165.9° |
| O31 | C16 | C7 | H7 | 0.4° | 0.3° |
| C16 | O31 | C23 | H23 | 109.4° | 73.4° |
| C17 | S32 | C21 | C19 | 49.4° | 44.9° |
| S32 | C17 | C8 | H8 | 1.7° | 0.3° |
| C17 | S32 | C21 | H211 | 71.1° | 75.0° |
| C17 | S32 | C21 | H212 | 169.9° | 164.7° |
| CL33 | C18 | C9 | H9 | 0.5° | 0.1° |
| CL33 | C18 | C11 | H11 | 0.3° | 0.1° |
| C21 | C19 | N26 | O28 | 178.2° | 179.9° |
| C19 | C21 | S32 | H211 | 120.5° | 119.9° |
| C19 | C21 | S32 | H212 | 120.5° | 119.8° |
| C21 | C19 | N26 | C24 | 167.1° | 179.1° |
| C19 | C21 | H211 | H212 | 118.4° | 120.3° |
| N26 | C19 | C21 | S32 | 32.7° | 35.2° |
| C19 | N26 | C24 | H241 | 47.4° | 144.4° |
| C19 | N26 | C24 | H242 | 166.5° | 24.5° |
| N26 | C19 | C21 | H211 | 87.8° | 84.6° |
| N26 | C19 | C21 | H212 | 153.3° | 155.0° |
| O28 | C19 | C21 | S32 | 148.9° | 144.9° |
| O28 | C19 | N26 | C24 | 14.7° | 1.0° |
| O28 | C19 | C21 | H211 | 90.6° | 95.3° |
| O28 | C19 | C21 | H212 | 28.4° | 25.1° |
| C20 | N27 | C25 | C23 | 119.9° | 180.0° |
| C20 | N27 | C25 | H27 | 180.0° | 180.0° |
| C20 | N27 | C25 | H251 | 119.5° | 60.0° |
| C20 | N27 | C25 | H252 | 0.6° | 60.0° |
| O29 | C20 | N27 | C25 | 21.3° | 0.0° |
| O29 | C20 | N27 | H27 | 158.6° | 179.9° |
| S32 | C21 | H211 | H212 | 118.4° | 120.2° |
| C23 | C22 | O30 | H221 | 119.7° | 119.6° |
| C23 | C22 | O30 | H222 | 119.7° | 119.8° |
| C22 | C23 | C25 | O31 | 130.0° | 118.7° |
| C22 | C23 | C25 | H23 | 115.1° | 120.6° |
| C22 | C23 | O31 | H23 | 117.4° | 119.7° |
| C22 | C23 | C25 | N27 | 82.6° | 180.0° |
| C23 | C22 | H221 | H222 | 120.9° | 120.7° |
| C22 | C23 | C25 | H251 | 38.0° | 59.9° |
| C22 | C23 | C25 | H252 | 156.8° | 60.0° |
| O30 | C22 | C23 | C25 | 179.6° | 179.4° |
| O30 | C22 | C23 | O31 | 52.8° | 59.8° |
| O30 | C22 | H221 | H222 | 120.9° | 120.7° |
| O30 | C22 | C23 | H23 | 65.2° | 60.0° |
| C25 | C23 | O31 | H23 | 114.4° | 120.7° |
| C23 | C25 | N27 | H251 | 120.6° | 120.0° |
| C23 | C25 | N27 | H252 | 120.5° | 120.0° |
| C23 | C25 | N27 | H27 | 60.1° | 0.0° |
| C25 | C23 | C22 | H221 | 60.7° | 61.0° |
| C25 | C23 | C22 | H222 | 59.9° | 59.6° |
| C23 | C25 | H251 | H252 | 118.3° | 120.0° |
| O31 | C23 | C25 | N27 | 47.3° | 61.3° |
| O31 | C23 | C22 | H221 | 172.5° | 179.3° |
| O31 | C23 | C22 | H222 | 66.9° | 60.0° |
| O31 | C23 | C25 | H251 | 167.9° | 58.7° |
| O31 | C23 | C25 | H252 | 73.2° | 178.7° |
| N26 | C24 | H241 | H242 | 118.6° | 119.9° |
| N27 | C25 | C23 | H23 | 162.2° | 59.4° |
| N27 | C25 | H251 | H252 | 118.3° | 120.0° |
| H1 | C1 | C2 | H2 | 0.0° | 0.4° |
| H1 | C1 | C6 | H6 | 0.1° | 0.4° |
| H2 | C2 | C7 | H7 | 0.2° | 0.1° |
| H3 | C3 | C5 | H5 | 0.5° | 0.3° |
| H3 | C3 | C9 | H9 | 0.4° | 0.3° |
| H4 | C4 | C8 | H8 | 1.3° | 0.4° |
| H27 | N27 | C25 | H251 | 60.5° | 120.1° |
| H27 | N27 | C25 | H252 | 179.4° | 120.0° |
| H221 | C22 | C23 | H23 | 54.5° | 59.6° |
| H222 | C22 | C23 | H23 | 175.1° | 179.8° |
| H23 | C23 | C25 | H251 | 77.2° | 179.5° |
| H23 | C23 | C25 | H252 | 41.7° | 60.6° |
